2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Chemical Structure Depiction of
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | D316-0335 |
| Compound Name: | 2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methoxyphenoxy)acetate |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C21 H23 N O6 S |
| Smiles: | CCCCN1C=C(c2ccccc2S1(=O)=O)OC(COc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2992 |
| logD: | 3.2992 |
| logSw: | -3.8084 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.929 |
| InChI Key: | BYIPFOMMDPTFPE-UHFFFAOYSA-N |